2-fluoro-4-[2-hydroxy-1-(3-methoxyanilino)ethyl]phenol

C15H16FNO3 — CID 107693461

IUPAC2-fluoro-4-[2-hydroxy-1-(3-methoxyanilino)ethyl]phenol
SMILESCOc1cccc(NC(CO)c2ccc(O)c(F)c2)c1
InChIInChI=1S/C15H16FNO3/c1-20-12-4-2-3-11(8-12)17-14(9-18)10-5-6-15(19)13(16)7-10/h2-8,14,17-19H,9H2,1H3
InChIKeyLSYHONUHBHJUOB-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.69
Rot. Bonds5

About 2-fluoro-4-[2-hydroxy-1-(3-methoxyanilino)ethyl]phenol

2-fluoro-4-[2-hydroxy-1-(3-methoxyanilino)ethyl]phenol (PubChem CID 107693461) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-fluoro-4-[2-hydroxy-1-(3-methoxyanilino)ethyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[2-hydroxy-1-(3-methoxyanilino)ethyl]phenol
PubChem CID107693461
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name2-fluoro-4-[2-hydroxy-1-(3-methoxyanilino)ethyl]phenol
SMILESCOc1cccc(NC(CO)c2ccc(O)c(F)c2)c1
InChIInChI=1S/C15H16FNO3/c1-20-12-4-2-3-11(8-12)17-14(9-18)10-5-6-15(19)13(16)7-10/h2-8,14,17-19H,9H2,1H3
InChIKeyLSYHONUHBHJUOB-UHFFFAOYSA-N
XLogP2.69
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(3-bromoanilino)-2-hydroxyethyl]-2-fluorophenol
CID 107693460
2-(3,4-dichlorophenyl)-2-(3-methoxyanilino)ethanol
CID 61048677
4-[1-(4-chloroanilino)-2-hydroxyethyl]-2-fluorophenol
CID 107693464
1-(4-bromo-3-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 81437578
2-fluoro-4-[2-hydroxy-1-(2-methoxyethylamino)ethyl]phenol
CID 107693476
N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline
CID 43196392
1-(2,6-difluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65376485
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol
CID 55146491
2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)ethanol
CID 81440489
2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid
CID 60993011
1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65379421

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-hydroxy-1-(3-methoxyanilino)ethyl]phenol?
The IUPAC name of 2-fluoro-4-[2-hydroxy-1-(3-methoxyanilino)ethyl]phenol (CID 107693461) is 2-fluoro-4-[2-hydroxy-1-(3-methoxyanilino)ethyl]phenol.
What is the SMILES notation for 2-fluoro-4-[2-hydroxy-1-(3-methoxyanilino)ethyl]phenol?
The canonical SMILES for 2-fluoro-4-[2-hydroxy-1-(3-methoxyanilino)ethyl]phenol is COc1cccc(NC(CO)c2ccc(O)c(F)c2)c1.
What is the InChIKey of 2-fluoro-4-[2-hydroxy-1-(3-methoxyanilino)ethyl]phenol?
The InChIKey is LSYHONUHBHJUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-20-12-4-2-3-11(8-12)17-14(9-18)10-5-6-15(19)13(16)7-10/h2-8,14,17-19H,9H2,1H3.
What are the key properties of 2-fluoro-4-[2-hydroxy-1-(3-methoxyanilino)ethyl]phenol?
2-fluoro-4-[2-hydroxy-1-(3-methoxyanilino)ethyl]phenol has a molecular weight of 277.30 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-hydroxy-1-(3-methoxyanilino)ethyl]phenol is sourced from PubChem (CID 107693461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).